3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine

C12H23N3S — CID 107816082

IUPAC3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCCCCCC(C)C)n1
InChIInChI=1S/C12H23N3S/c1-10(2)8-6-4-5-7-9-13-12-14-11(3)15-16-12/h10H,4-9H2,1-3H3,(H,13,14,15)
InChIKeyVNBWHJSSJOZHGP-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.86
Rot. Bonds8

About 3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107816082) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine
PubChem CID107816082
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCCCCCC(C)C)n1
InChIInChI=1S/C12H23N3S/c1-10(2)8-6-4-5-7-9-13-12-14-11(3)15-16-12/h10H,4-9H2,1-3H3,(H,13,14,15)
InChIKeyVNBWHJSSJOZHGP-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloropentyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 106124940
5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
CID 107269261
N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273352
3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine
CID 65271707
N-(2-chloroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273353
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine
CID 115657519
3-methyl-N-(3-propoxypropyl)-1,2,4-thiadiazol-5-amine
CID 82943965
5-bromo-N-(7-methyloctyl)-1,3,4-thiadiazol-2-amine
CID 107817577
4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine
CID 107816095
1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol
CID 103875675
6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
CID 107818951

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine (CID 107816082) is 3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCCCCCC(C)C)n1.
What is the InChIKey of 3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VNBWHJSSJOZHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-10(2)8-6-4-5-7-9-13-12-14-11(3)15-16-12/h10H,4-9H2,1-3H3,(H,13,14,15).
What are the key properties of 3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 241.40 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107816082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).